UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(3-methoxyphenyl)-N-[(4-methylcyclohexylidene)amino]thiazol-2-amine 4-(3-methoxyphenyl)-N-[(4-methyl…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-4-E Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic Eukaryotes 749 0.39 Binding ≤ 10μM
AOFB-4-E Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic Eukaryotes 35 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_HUMAN P21397 Monoamine Oxidase A, Human 749.15 0.39 Binding ≤ 1μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 35.49 0.47 Binding ≤ 1μM
AOFA_HUMAN P21397 Monoamine Oxidase A, Human 749.15 0.39 Binding ≤ 10μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 35.49 0.47 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 9.21 -10.11 1 4 0 47 315.442 4 ↓
Lo Low (pH 4.5-6) 4.16 9.56 -25.52 2 4 1 48 316.45 4 ↓

Analogs

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Popular Name: 4-(2,4-difluorophenyl)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]thiazol-2-amine 4-(2,4-difluorophenyl)-N-[(Z)-[(…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 56 0.46 Binding ≤ 10μM
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 260 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 56 0.46 Binding ≤ 1μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 56 0.46 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.61 10.24 -9.47 1 3 0 37 321.396 3 ↓

Parameters Provided:

ring.id = 192355
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 192355 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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